3-amino-4,6-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyridin-2-one

C11H13N3OS — CID 23317701

IUPAC3-amino-4,6-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyridin-2-one
SMILESCc1nc(-c2c(C)[nH]c(=O)c(N)c2C)cs1
InChIInChI=1S/C11H13N3OS/c1-5-9(8-4-16-7(3)14-8)6(2)13-11(15)10(5)12/h4H,12H2,1-3H3,(H,13,15)
InChIKeyXEEODZWVEXVLLR-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.01
Rot. Bonds1

About 3-amino-4,6-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyridin-2-one

3-amino-4,6-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyridin-2-one (PubChem CID 23317701) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyridin-2-one
PubChem CID23317701
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name3-amino-4,6-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyridin-2-one
SMILESCc1nc(-c2c(C)[nH]c(=O)c(N)c2C)cs1
InChIInChI=1S/C11H13N3OS/c1-5-9(8-4-16-7(3)14-8)6(2)13-11(15)10(5)12/h4H,12H2,1-3H3,(H,13,15)
InChIKeyXEEODZWVEXVLLR-UHFFFAOYSA-N
XLogP2.01
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-4,6-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyridin-2-one (CID 23317701) is 3-amino-4,6-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-4,6-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-4,6-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyridin-2-one is Cc1nc(-c2c(C)[nH]c(=O)c(N)c2C)cs1.
What is the InChIKey of 3-amino-4,6-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
The InChIKey is XEEODZWVEXVLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-5-9(8-4-16-7(3)14-8)6(2)13-11(15)10(5)12/h4H,12H2,1-3H3,(H,13,15).
What are the key properties of 3-amino-4,6-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
3-amino-4,6-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyridin-2-one has a molecular weight of 235.31 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 23317701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).